RInChI=1.00.1S/3K.H3O4P/c;;;1-5(2,3)4/h;;;(H3,1,2,3,4)/q3*+1;/p-3!C11H9ClF3N3O3S/c12-9-8(21-22(19,20)11(13,14)15)4-3-7-10(9)16-17-18(7)5-6-1-2-6/h3-4,6H,1-2,5H2!C7H9BO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9-11H,5H2!CH2O3.Na/c2-1(3)4;/h(H2,2,3,4);/q;+1/p-1<>C17H16ClN3O/c18-16-14(13-5-3-12(10-22)4-6-13)7-8-15-17(16)19-20-21(15)9-11-1-2-11/h3-8,11,22H,1-2,9-10H2<>4C18H15P.Pd/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h4*1-15H;!C4H8O2/c1-2-6-4-3-5-1/h1-4H2!H2O/h1H2/d+
RAuxInfo=1.00.1/1/N:1;2;3;4,5,6,7,8/E:;;;(1,2,3,4)/rA:8K+K+K+O-O-O-OP/rB:;;;;;;s4s5s6d7;/rC:;;;;;;;;!0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22/E:(1,2)(13,14,15)(19,20)/CRV:22.6/rA:22CCCCCCCCCCCClFFFNNNOOOS/rB:s1;;d3;;s1s2s5;s3;s4;d8;d7s9;;s9;s11;s11;s11;s10;d16;s5s7s17;;;s8;s11d19d20s21;/rC:;;;;;;;;;;;;;;;;;;;;;;!0/N:1,2,3,4,5,6,7,8,9,10,11/E:(1,2)(3,4)(10,11)/rA:11CCCCCCCBOOO/rB:;s1;d2;;d1s2s5;d3s4;s7;s5;s8;s8;/rC:;;;;;;;;;;;!1/N:1,2,3,4;5/E:(2,3,4);/rA:5COO-ONa+/rB:d1;s1;s1;;/rC:;;;;;<>0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22/E:(1,2)(3,4)(5,6)/rA:22CCCCCCCCCCCCCCCCCClNNNO/rB:s1;;;s3;d4;;d7;;;s1s2s9;d3s4s10;d5s6;s7s13;s8;d14;d15s16;s16;s17;d19;s9s15s20;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;<>0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19;20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38;39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57;58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76;77/E:4*(1,2,3)(4,5,6,7,8,9)(10,11,12,13,14,15)(16,17,18);/rA:77CCCCCCCCCCCCCCCCCCPCCCCCCCCCCCCCCCCCCPCCCCCCCCCCCCCCCCCCPCCCCCCCCCCCCCCCCCCPPd/rB:;;d1;s1;d2;s2;d3;s3;s4;d5;s6;d7;s8;d9;d10s11;d12s13;d14s15;s16s17s18;;;;d20;s20;d21;s21;d22;s22;s23;d24;s25;d26;s27;d28;d29s30;d31s32;d33s34;s35s36s37;;;;d39;s39;d40;s40;d41;s41;s42;d43;s44;d45;s46;d47;d48s49;d50s51;d52s53;s54s55s56;;;;d58;s58;d59;s59;d60;s60;s61;d62;s63;d64;s65;d66;d67s68;d69s70;d71s72;s73s74s75;;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;!0/N:1,2,3,4,5,6/E:(1,2,3,4)(5,6)/rA:6CCCCOO/rB:s1;;s3;s1s3;s2s4;/rC:;;;;;;!0/N:1/rA:1O/rB:/rC:;
Long-RInChIKey=SA-FUHFF-LWIHDJKSTIGBAC-UHFFFAOYSA-K-FZBVIYHVIVONEM-UHFFFAOYSA-N-PZRPBPMLSSNFOM-UHFFFAOYSA-N-UIIMBOGNXHQVGW-UHFFFAOYSA-M--MIYFBUQOXVAUSG-UHFFFAOYSA-N--NFHFRUOZVGFOOS-UHFFFAOYSA-N-RYHBNJHYFVUHQT-UHFFFAOYSA-N-XLYOFNOQVPJJNP-UHFFFAOYSA-N
Short-RInChIKey=SA-FUHFF-DLENYYIRMB-MIYFBUQOXV-FGPCMQRXYP-JUHFF-NUHFF-NUHFF-ZZZ
Web-RInChIKey=KSFCRJLXCNJBIGAQS-JUHFFFADPSCTJSA